2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine

C16H15N5 — CID 892542

IUPAC2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H15N5/c17-15-19-14(13-9-5-2-6-10-13)20-16(21-15)18-11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,17,18,19,20,21)
InChIKeyLDHZXIVBHWRNGD-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.73
Rot. Bonds4

About 2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine

2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 892542) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID892542
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCc2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C16H15N5/c17-15-19-14(13-9-5-2-6-10-13)20-16(21-15)18-11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,17,18,19,20,21)
InChIKeyLDHZXIVBHWRNGD-UHFFFAOYSA-N
XLogP2.73
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine (CID 892542) is 2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine is Nc1nc(NCc2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is LDHZXIVBHWRNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c17-15-19-14(13-9-5-2-6-10-13)20-16(21-15)18-11-12-7-3-1-4-8-12/h1-10H,11H2,(H3,17,18,19,20,21).
What are the key properties of 2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine?
2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 277.33 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-benzyl-6-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 892542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).